ChemSpider 2D Image | [4-(Ethoxycarbonyl)-1,3-thiazol-2-yl](oxo)acetic acid | C8H7NO5S

[4-(Ethoxycarbonyl)-1,3-thiazol-2-yl](oxo)acetic acid

  • Molecular FormulaC8H7NO5S
  • Average mass229.210 Da
  • Monoisotopic mass229.004486 Da
  • ChemSpider ID37559496

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[4-(Ethoxycarbonyl)-1,3-thiazol-2-yl](oxo)acetic acid [ACD/IUPAC Name]
[4-(Ethoxycarbonyl)-1,3-thiazol-2-yl](oxo)essigsäure [German] [ACD/IUPAC Name]
2-Thiazoleacetic acid, 4-(ethoxycarbonyl)-α-oxo- [ACD/Index Name]
Acide [4-(éthoxycarbonyl)-1,3-thiazol-2-yl](oxo)acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 424.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.6±26.5 °C
Index of Refraction: 1.579
Molar Refractivity: 50.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 152.7±3.0 cm3

Click to predict properties on the Chemicalize site


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